SCHEMBL2987754

SCHEMBL2987754

CN(C)C1(Cc2cccc(F)c2)CCC(NC(=O)COc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
LMNA P02545 4/20 0.49
SIGMAR1 Q99720 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
USP2 O75604 1/20 0.43
ADIPOR2 Q86V24 1/20 0.43
ADIPOR1 Q96A54 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2972810 0.92 ATF4 (0.55) POLBLMNASIGMAR1SMN1; SMN2CYP1A2
SCHEMBL2982908 0.91 MCHR1 (0.50) POLBLMNASIGMAR1SMN1; SMN2CYP1A2
SCHEMBL5162540 0.89 MCHR1 (0.46) POLBSIGMAR1
SCHEMBL2981330 0.89 POLB (0.51) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2983764 0.89 LMNA (0.58) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2983707 0.88 POLB (0.53) POLBLMNASIGMAR1SMN1; SMN2CYP1A2
SCHEMBL2978768 0.83 SIGMAR1 (0.41) POLBSIGMAR1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2987366 0.83 MCHR1 (0.54) POLBSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL2985326 0.83 HPGD (0.50) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2987483 0.83 ATF4 (0.61) POLBLMNASMN1; SMN2MAPK1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 POLB 1844/4885LMNA 1459/4885SIGMAR1 1253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.